COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548776
Chemical Name: (3alpha,5alpha,8xi,9xi,14xi)-16-chloro-3,17-dihydroxypregnan-20-one
Smiles: O[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC([C@]2(O)C(=O)C)Cl)C)C

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Molecular Weight: 368.94
Empirical Formula: C21H33ClO3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.82
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 57
Number of rings: 4

     

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